1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[4-(4-ethoxyphenyl)-2-pyrimidinyl]-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 2-phenoxy-1-[4-(4-p-phenetylpyrimidin-2-yl)piperazino]propan-1-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)C(C)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-3-31-21-11-9-20(10-12-21)23-13-14-26-25(27-23)29-17-15-28(16-18-29)24(30)19(2)32-22-7-5-4-6-8-22/h4-14,19H,3,15-18H2,1-2H3